prev
up
next
Bonding energy

The bonding energy is computed as: the energy of the molecule in the field minus the energy of the constituent fragments in the same field. Of course, the fragments may not be polarized and hence not be self-consistent in this field. This depends on how the fragments themselves were computed.

SCM Home Page
Quality Software. Quantum Science
*
*
Copyright Terms of UsePrivacy Policy
Home Products Try & Buy Downloads Documentation Support News About SCM Contact
Home     Products     Try & Buy     Downloads     Documentation     Support     News     About SCM     Contact